==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 20-APR-10 2XCA . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR A.IRIMIA,M.EGLI . 341 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17616.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 21 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 0 1 1 1 1 1 0 0 0 0 1 0 1 2 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 1 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 81 0, 0.0 2,-0.5 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 139.8 0.3 34.4 13.4 2 2 A I - 0 0 20 113,-0.1 109,-1.8 2,-0.0 2,-0.4 -0.963 360.0-166.9-127.3 114.5 2.0 36.7 11.0 3 3 A V E -AB 110 145A 0 142,-3.5 142,-2.1 -2,-0.5 2,-0.5 -0.832 6.9-165.5-105.6 138.8 5.8 37.2 11.2 4 4 A L E -AB 109 144A 0 105,-2.4 105,-2.2 -2,-0.4 2,-0.4 -0.973 11.0-167.0-122.3 114.1 7.7 39.9 9.5 5 5 A F E -AB 108 143A 0 138,-4.3 138,-3.4 -2,-0.5 2,-0.4 -0.850 0.6-162.5-104.7 138.6 11.5 39.3 9.4 6 6 A V E +AB 107 142A 0 101,-2.7 101,-1.9 -2,-0.4 2,-0.4 -0.970 9.6 178.4-124.9 137.6 14.0 42.0 8.5 7 7 A D E -AB 106 141A 16 134,-2.3 134,-2.8 -2,-0.4 99,-0.2 -0.985 28.0-125.3-139.2 124.1 17.6 41.6 7.4 8 8 A F E > - B 0 140A 0 97,-2.3 3,-0.8 -2,-0.4 132,-0.3 -0.416 34.2-109.6 -69.7 138.3 20.0 44.5 6.5 9 9 A D T 3 S- 0 0 0 130,-2.1 5,-0.3 1,-0.3 130,-0.1 -0.454 83.6 -27.8 -73.7 138.1 21.6 44.1 3.0 10 10 A Y T >> S- 0 0 38 -2,-0.2 4,-2.8 1,-0.1 3,-0.6 0.760 88.2-169.0 22.0 51.4 25.4 43.4 2.9 11 11 A F H <> + 0 0 8 -3,-0.8 4,-2.1 1,-0.2 5,-0.2 0.705 67.1 42.6 -34.7 -64.3 25.3 45.2 6.2 12 12 A Y H 3> S+ 0 0 31 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.887 120.4 44.9 -59.8 -39.1 29.0 46.0 7.2 13 13 A A H <> S+ 0 0 0 -3,-0.6 4,-1.9 1,-0.2 3,-0.3 0.950 112.6 50.1 -69.2 -49.0 29.8 46.9 3.7 14 14 A Q H X S+ 0 0 5 -4,-2.8 4,-2.5 -5,-0.3 -2,-0.2 0.809 105.7 56.5 -61.5 -29.0 26.7 49.1 3.2 15 15 A V H X S+ 0 0 2 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.3 0.917 107.4 50.0 -67.5 -37.4 27.4 50.9 6.5 16 16 A E H < S+ 0 0 9 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.855 109.3 51.4 -65.4 -36.5 30.7 51.8 5.0 17 17 A E H >< S+ 0 0 11 -4,-1.9 3,-1.5 2,-0.2 7,-0.3 0.912 106.5 53.5 -66.5 -42.1 29.0 53.0 1.8 18 18 A V H 3< S+ 0 0 42 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.901 111.2 46.7 -58.4 -41.0 26.7 55.2 3.9 19 19 A L T 3< S+ 0 0 89 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.431 130.0 22.7 -81.8 1.2 29.8 56.7 5.5 20 20 A N X - 0 0 78 -3,-1.5 3,-4.0 -4,-0.1 4,-0.5 -0.199 59.3-177.4-166.1 68.1 31.4 57.1 2.0 21 21 A P G > S+ 0 0 75 0, 0.0 3,-0.8 0, 0.0 -3,-0.1 0.704 81.6 77.7 -39.8 -26.5 29.1 57.2 -1.1 22 22 A S G 3 S+ 0 0 71 1,-0.3 4,-0.1 -5,-0.1 -5,-0.1 0.841 92.2 54.0 -55.3 -31.0 32.3 57.4 -3.1 23 23 A L G X S+ 0 0 9 -3,-4.0 3,-2.6 -6,-0.2 -1,-0.3 0.806 84.1 106.5 -72.6 -32.1 32.5 53.7 -2.4 24 24 A K T < S+ 0 0 97 -3,-0.8 -10,-0.0 -4,-0.5 0, 0.0 -0.144 83.2 23.7 -50.2 139.8 29.0 53.0 -3.8 25 25 A G T 3 S+ 0 0 59 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.104 108.3 95.6 89.2 -25.1 29.1 51.3 -7.2 26 26 A K S < S- 0 0 92 -3,-2.6 2,-0.4 -4,-0.1 -1,-0.3 -0.608 89.0 -97.3 -96.1 158.4 32.6 50.0 -6.4 27 27 A P - 0 0 37 0, 0.0 45,-2.8 0, 0.0 2,-0.4 -0.630 43.7-166.3 -76.6 129.0 33.3 46.5 -5.0 28 28 A V E -e 72 0B 0 -2,-0.4 19,-1.7 43,-0.2 2,-0.5 -0.961 11.9-173.3-121.6 136.3 33.8 46.7 -1.2 29 29 A V E -eF 73 46B 0 43,-2.5 45,-1.8 -2,-0.4 2,-0.6 -0.951 12.2-153.7-130.6 111.4 35.2 44.0 1.1 30 30 A V E -eF 74 45B 0 15,-2.4 14,-2.2 -2,-0.5 15,-1.3 -0.759 26.6-163.2 -84.8 122.2 35.1 44.5 4.8 31 31 A C E -eF 75 43B 1 43,-3.8 45,-3.0 -2,-0.6 2,-0.8 -0.809 28.5-145.4-117.0 152.9 38.0 42.4 6.3 32 32 A V E - F 0 42B 65 10,-2.9 10,-1.3 -2,-0.3 2,-0.4 -0.886 27.5-156.5-111.7 96.3 39.2 41.0 9.6 33 33 A F E - F 0 41B 75 -2,-0.8 8,-0.2 8,-0.2 5,-0.1 -0.621 12.9-173.1 -77.9 127.3 43.0 41.3 9.4 34 34 A S - 0 0 34 6,-2.0 7,-0.2 -2,-0.4 -1,-0.1 0.715 27.5-135.0 -94.4 -25.7 44.8 38.9 11.7 35 35 A G + 0 0 21 5,-0.6 3,-0.1 2,-0.3 6,-0.1 0.573 65.0 127.1 85.3 8.3 48.4 40.0 11.4 36 36 A R S S- 0 0 59 1,-0.1 2,-0.3 215,-0.0 -1,-0.1 0.717 101.1 -32.7 -68.7 -19.4 50.3 36.7 10.9 37 37 A F S > S- 0 0 124 3,-0.1 3,-0.7 0, 0.0 2,-0.6 -0.835 101.3 -54.5-173.3-166.0 51.6 38.5 7.8 38 38 A E T 3 S+ 0 0 114 -2,-0.3 3,-0.1 1,-0.2 -5,-0.0 -0.855 118.1 12.4-109.9 135.0 49.8 41.0 5.7 39 39 A D T 3 S+ 0 0 44 -2,-0.6 23,-0.4 1,-0.4 2,-0.3 0.592 90.8 141.2 87.4 25.8 46.4 40.5 4.1 40 40 A S < + 0 0 6 -3,-0.7 -6,-2.0 21,-0.1 -5,-0.6 -0.724 36.3 58.1 -91.4 145.3 46.1 37.5 6.3 41 41 A G E S-F 33 0B 26 -2,-0.3 20,-2.4 -8,-0.2 21,-0.4 -0.877 79.3 -70.3 131.6-169.9 42.6 36.9 7.6 42 42 A A E -FG 32 60B 38 -10,-1.3 -10,-2.9 -2,-0.3 2,-0.5 -0.810 37.7-103.6-125.4 165.7 39.1 36.5 6.4 43 43 A V E -F 31 0B 4 16,-1.8 15,-2.2 13,-0.3 -12,-0.2 -0.769 18.7-165.0 -88.5 124.4 36.3 38.5 4.8 44 44 A A E - 0 0 30 -14,-2.2 2,-0.3 -2,-0.5 -1,-0.2 0.930 69.9 -45.3 -71.3 -45.4 33.6 39.6 7.2 45 45 A T E -F 30 0B 18 -15,-1.3 -15,-2.4 11,-0.1 -1,-0.3 -0.958 51.7-144.6-173.6 170.1 31.3 40.5 4.2 46 46 A A E -F 29 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.989 28.7-102.7-146.7 150.4 31.3 42.3 0.8 47 47 A N > - 0 0 0 -19,-1.7 4,-1.5 -2,-0.3 3,-0.1 -0.156 46.4 -97.8 -65.6 170.5 28.7 44.3 -1.1 48 48 A Y H > S+ 0 0 52 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.781 120.2 65.2 -64.2 -27.3 26.9 42.6 -4.0 49 49 A E H >> S+ 0 0 61 1,-0.2 3,-1.2 -23,-0.2 4,-0.5 0.989 109.1 40.4 -55.3 -57.4 29.2 44.0 -6.6 50 50 A A H >4>S+ 0 0 0 1,-0.3 5,-1.7 -24,-0.2 3,-0.8 0.770 107.0 62.6 -60.8 -33.3 32.0 42.0 -5.1 51 51 A R H ><5S+ 0 0 86 -4,-1.5 3,-1.5 1,-0.2 -1,-0.3 0.705 88.9 71.6 -69.4 -18.8 29.9 38.9 -4.4 52 52 A K H <<5S+ 0 0 160 -3,-1.2 -1,-0.2 -4,-1.1 -2,-0.2 0.883 100.6 45.2 -62.9 -36.8 29.3 38.4 -8.1 53 53 A F T <<5S- 0 0 120 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.194 129.3 -94.7 -92.9 16.3 32.9 37.4 -8.5 54 54 A G T < 5S+ 0 0 28 -3,-1.5 2,-0.8 1,-0.3 -3,-0.2 0.459 76.8 141.7 89.3 1.0 32.8 35.0 -5.5 55 55 A V < + 0 0 0 -5,-1.7 2,-0.3 -7,-0.1 -1,-0.3 -0.694 29.8 143.3 -80.5 113.5 34.1 37.4 -2.8 56 56 A K > - 0 0 118 -2,-0.8 3,-1.9 -3,-0.1 -13,-0.3 -0.985 54.6 -63.8-151.5 160.8 32.1 36.6 0.3 57 57 A A T 3 S+ 0 0 57 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.1 -0.067 114.0 28.9 -42.3 133.0 32.1 36.2 4.1 58 58 A G T 3 S+ 0 0 61 -15,-2.2 -1,-0.2 1,-0.3 3,-0.1 -0.175 88.6 110.3 107.6 -41.1 34.4 33.4 5.2 59 59 A I S < S- 0 0 33 -3,-1.9 -16,-1.8 1,-0.1 -1,-0.3 -0.372 78.1 -91.9 -74.9 150.1 37.0 33.2 2.5 60 60 A P B >> -G 42 0B 66 0, 0.0 4,-1.6 0, 0.0 3,-0.9 -0.195 28.7-126.1 -55.1 144.7 40.6 34.2 3.1 61 61 A I H 3> S+ 0 0 0 -20,-2.4 4,-2.6 1,-0.2 5,-0.2 0.901 110.4 60.6 -62.7 -36.6 41.4 37.9 2.3 62 62 A V H 3> S+ 0 0 63 -23,-0.4 4,-1.5 -21,-0.4 -1,-0.2 0.766 101.4 53.2 -62.1 -25.2 44.2 36.7 -0.0 63 63 A E H <> S+ 0 0 76 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.927 108.9 49.3 -73.5 -44.0 41.7 34.9 -2.1 64 64 A A H X S+ 0 0 0 -4,-1.6 4,-3.8 2,-0.2 -2,-0.2 0.948 109.0 50.5 -57.6 -52.5 39.7 38.0 -2.5 65 65 A K H < S+ 0 0 61 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.920 108.8 55.6 -50.5 -46.0 42.7 40.1 -3.5 66 66 A K H < S+ 0 0 153 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.933 116.3 34.4 -51.2 -53.0 43.4 37.4 -6.0 67 67 A I H < S+ 0 0 71 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.816 136.4 21.0 -76.6 -34.8 39.9 37.7 -7.6 68 68 A L >< + 0 0 23 -4,-3.8 3,-1.4 -5,-0.2 -1,-0.2 -0.566 65.4 168.5-136.5 74.1 39.5 41.5 -7.1 69 69 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.703 81.3 41.7 -58.8 -21.3 42.9 43.2 -6.7 70 70 A N T 3 S+ 0 0 156 -5,-0.1 -5,-0.1 2,-0.1 3,-0.0 0.379 83.7 111.9-111.5 5.7 41.4 46.6 -7.1 71 71 A A S < S- 0 0 12 -3,-1.4 2,-0.4 -7,-0.1 -43,-0.2 -0.296 81.9 -93.5 -68.7 163.7 38.2 46.4 -5.1 72 72 A V E -e 28 0B 36 -45,-2.8 -43,-2.5 -49,-0.1 2,-0.6 -0.709 37.7-158.2 -83.9 130.1 38.2 48.5 -1.9 73 73 A Y E -e 29 0B 38 -2,-0.4 -43,-0.2 -45,-0.2 -45,-0.1 -0.911 13.1-177.0-113.5 108.3 39.4 46.6 1.2 74 74 A L E -e 30 0B 35 -45,-1.8 -43,-3.8 -2,-0.6 2,-0.2 -0.777 27.8-116.6-105.7 145.6 38.2 48.1 4.5 75 75 A P E -e 31 0B 72 0, 0.0 2,-0.2 0, 0.0 -43,-0.2 -0.589 43.1 -99.1 -77.8 141.3 39.1 46.9 8.0 76 76 A M - 0 0 66 -45,-3.0 2,-0.4 -2,-0.2 -43,-0.1 -0.413 34.4-170.1 -63.9 126.3 36.0 45.8 10.0 77 77 A R >> + 0 0 107 -2,-0.2 4,-1.5 1,-0.2 3,-0.7 -0.630 11.9 171.5-116.3 71.7 34.8 48.5 12.4 78 78 A K H 3> + 0 0 105 -2,-0.4 4,-3.0 1,-0.2 5,-0.2 0.781 69.1 62.6 -52.3 -40.3 32.2 46.6 14.4 79 79 A E H 3> S+ 0 0 137 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.928 107.6 46.6 -52.3 -47.9 31.5 49.2 17.1 80 80 A V H <> S+ 0 0 47 -3,-0.7 4,-2.0 2,-0.2 5,-0.2 0.934 112.0 47.4 -60.9 -50.7 30.2 51.5 14.3 81 81 A Y H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.880 111.6 54.5 -61.2 -35.1 28.0 48.8 12.7 82 82 A Q H X S+ 0 0 79 -4,-3.0 4,-3.4 1,-0.2 -2,-0.2 0.958 107.9 46.4 -63.5 -50.0 26.7 47.9 16.1 83 83 A Q H X S+ 0 0 120 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.828 113.9 48.9 -63.1 -31.1 25.6 51.5 16.9 84 84 A V H X S+ 0 0 10 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.928 113.1 48.4 -72.4 -41.6 24.0 51.8 13.5 85 85 A S H X S+ 0 0 2 -4,-2.5 4,-3.1 -5,-0.2 -2,-0.2 0.934 107.5 53.6 -60.9 -49.9 22.3 48.5 14.1 86 86 A S H X S+ 0 0 49 -4,-3.4 4,-2.4 1,-0.2 -1,-0.2 0.896 109.0 51.3 -53.7 -40.7 21.0 49.4 17.6 87 87 A R H X S+ 0 0 114 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.962 110.6 46.5 -61.9 -50.6 19.5 52.5 16.1 88 88 A I H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.870 110.4 55.1 -60.4 -36.0 17.7 50.5 13.4 89 89 A M H X S+ 0 0 5 -4,-3.1 4,-1.6 2,-0.2 -1,-0.2 0.939 106.1 50.0 -63.5 -45.6 16.6 48.1 16.0 90 90 A N H >X S+ 0 0 83 -4,-2.4 4,-1.2 1,-0.3 3,-0.5 0.931 108.1 54.6 -56.1 -45.0 15.0 50.8 18.1 91 91 A L H 3< S+ 0 0 20 -4,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.876 107.1 51.4 -56.0 -38.5 13.2 52.0 15.0 92 92 A L H >< S+ 0 0 0 -4,-1.7 3,-1.7 1,-0.2 4,-0.3 0.787 96.7 66.1 -71.4 -29.5 11.8 48.5 14.5 93 93 A R H X< S+ 0 0 103 -4,-1.6 3,-2.4 -3,-0.5 -1,-0.2 0.890 87.2 72.1 -59.5 -36.0 10.5 48.3 18.0 94 94 A E T 3< S+ 0 0 141 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.408 96.9 50.2 -61.3 4.8 8.1 51.0 17.0 95 95 A Y T < S+ 0 0 25 -3,-1.7 -1,-0.3 1,-0.4 2,-0.2 0.447 125.8 1.0-119.7 -6.1 6.2 48.5 14.9 96 96 A S < - 0 0 1 -3,-2.4 -1,-0.4 -4,-0.3 15,-0.1 -0.816 45.0-145.9 179.9 138.7 5.8 45.8 17.6 97 97 A E S S+ 0 0 149 -2,-0.2 2,-1.3 13,-0.1 -1,-0.1 0.836 93.4 78.6 -75.3 -34.7 6.6 45.1 21.2 98 98 A K + 0 0 82 12,-0.4 12,-2.1 -3,-0.1 2,-0.4 -0.642 68.0 147.8 -77.0 96.5 7.1 41.5 20.2 99 99 A I E -C 109 0A 8 -2,-1.3 2,-0.6 10,-0.2 10,-0.2 -0.996 33.6-165.1-140.4 135.9 10.6 41.6 18.7 100 100 A E E -C 108 0A 10 8,-2.7 8,-1.9 -2,-0.4 2,-0.9 -0.926 9.2-157.4-120.9 105.3 13.4 39.1 18.5 101 101 A I E +C 107 0A 56 -2,-0.6 6,-0.3 6,-0.2 139,-0.2 -0.751 16.7 177.5 -81.7 110.9 16.8 40.6 17.5 102 102 A A E - 0 0 22 4,-1.6 2,-0.3 -2,-0.9 5,-0.2 0.547 59.1 -8.1 -94.2 -11.0 18.5 37.4 16.2 103 103 A S E > S-C 106 0A 39 3,-1.2 3,-0.7 0, 0.0 -1,-0.1 -0.924 90.0 -72.9-165.0-175.8 21.8 38.9 15.0 104 104 A I T 3 S+ 0 0 33 -2,-0.3 3,-0.1 1,-0.2 -3,-0.0 0.612 130.2 24.7 -69.4 -9.5 23.6 42.1 14.5 105 105 A D T 3 S+ 0 0 22 1,-0.1 -97,-2.3 -17,-0.0 2,-0.3 0.221 110.9 65.5-143.2 24.2 21.4 42.8 11.5 106 106 A E E < +AC 7 103A 30 -3,-0.7 -4,-1.6 -99,-0.2 -3,-1.2 -1.000 43.2 173.5-148.9 149.3 18.1 40.9 11.7 107 107 A A E -AC 6 101A 0 -101,-1.9 -101,-2.7 -2,-0.3 2,-0.4 -0.993 22.1-139.4-150.3 152.5 15.0 40.7 13.7 108 108 A Y E -AC 5 100A 24 -8,-1.9 -8,-2.7 -2,-0.3 2,-0.4 -0.944 20.7-162.1-112.6 136.2 11.6 38.9 13.7 109 109 A L E -AC 4 99A 0 -105,-2.2 -105,-2.4 -2,-0.4 2,-0.9 -0.955 16.1-140.5-121.0 139.8 8.6 40.9 14.6 110 110 A D E +A 3 0A 20 -12,-2.1 -12,-0.4 -2,-0.4 3,-0.2 -0.889 32.1 163.0 -98.1 103.7 5.2 39.5 15.6 111 111 A I > + 0 0 0 -109,-1.8 4,-2.2 -2,-0.9 -108,-0.1 -0.015 31.2 122.0-112.1 26.5 2.8 41.8 13.9 112 112 A S T 4 S+ 0 0 39 -110,-0.2 -1,-0.2 2,-0.2 -109,-0.1 0.828 83.5 37.3 -56.8 -34.5 -0.2 39.5 14.2 113 113 A D T 4 S+ 0 0 131 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.959 112.7 54.0 -80.5 -59.6 -2.1 42.2 16.1 114 114 A K T 4 S+ 0 0 93 -4,-0.2 2,-0.3 -19,-0.1 -2,-0.2 0.808 114.0 44.8 -43.4 -40.5 -0.9 45.3 14.2 115 115 A V < - 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0 0 12 -3,-1.5 -3,-0.1 -5,-0.2 -1,-0.1 -0.840 49.7-178.4-120.4 96.1 20.8 23.1 8.4 187 187 A G > - 0 0 45 -2,-0.6 4,-2.2 1,-0.1 5,-0.1 -0.027 48.4 -82.4 -80.9-169.5 24.4 23.6 7.4 188 188 A N H > S+ 0 0 127 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.732 126.9 55.4 -66.2 -22.7 26.5 21.6 5.0 189 189 A I H > S+ 0 0 120 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.938 114.2 35.7 -76.7 -48.9 27.1 18.9 7.6 190 190 A T H > S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.810 113.6 62.4 -73.2 -28.2 23.5 18.1 8.4 191 191 A A H X S+ 0 0 6 -4,-2.2 4,-1.2 2,-0.2 3,-0.2 0.974 107.2 41.0 -59.5 -56.1 22.6 18.7 4.7 192 192 A E H >X S+ 0 0 98 -4,-1.6 4,-2.2 1,-0.2 3,-0.7 0.907 111.7 56.2 -59.4 -43.7 24.8 15.8 3.5 193 193 A K H 3X S+ 0 0 73 -4,-1.7 4,-0.7 1,-0.3 -1,-0.2 0.886 103.9 55.3 -55.9 -38.6 23.7 13.6 6.4 194 194 A L H 3<>S+ 0 0 0 -4,-2.1 5,-2.5 -3,-0.2 -1,-0.3 0.841 107.6 49.9 -64.1 -32.5 20.1 14.2 5.3 195 195 A K H X<5S+ 0 0 71 -4,-1.2 3,-3.6 -3,-0.7 -2,-0.2 0.891 98.1 61.9 -74.7 -41.8 21.0 12.9 1.8 196 196 A K H 3<5S+ 0 0 154 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.783 109.7 48.3 -54.4 -19.5 22.7 9.7 2.9 197 197 A L T 3<5S- 0 0 37 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.361 122.2-112.3 -99.1 0.7 19.2 9.2 4.2 198 198 A G T < 5S+ 0 0 44 -3,-3.6 2,-0.6 1,-0.2 -3,-0.2 0.465 72.1 136.8 83.1 0.6 17.6 10.1 0.9 199 199 A I < + 0 0 0 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.723 9.2 149.6 -85.8 120.6 16.0 13.3 2.2 200 200 A N + 0 0 70 -2,-0.6 -20,-1.9 1,-0.2 -19,-0.3 0.369 65.8 41.8-126.2 -5.7 16.3 16.3 -0.1 201 201 A K B S-H 179 0C 58 -22,-0.2 4,-0.5 -21,-0.1 3,-0.3 -0.940 84.5-111.8-140.0 160.8 13.2 18.1 0.8 202 202 A L S > S+ 0 0 0 -24,-0.7 3,-2.6 -28,-0.3 4,-0.3 0.960 116.4 57.1 -56.3 -54.2 11.3 19.0 4.0 203 203 A V G > S+ 0 0 48 -28,-2.6 3,-2.9 1,-0.3 4,-0.3 0.827 92.6 70.7 -45.6 -40.5 8.4 16.7 3.1 204 204 A D G > S+ 0 0 42 1,-0.3 3,-1.8 -3,-0.3 -1,-0.3 0.759 84.5 68.6 -51.6 -27.8 10.9 13.8 2.8 205 205 A T G X S+ 0 0 2 -3,-2.6 3,-0.6 -4,-0.5 -1,-0.3 0.715 90.2 64.1 -66.6 -17.8 11.3 13.8 6.6 206 206 A L G < S+ 0 0 82 -3,-2.9 -1,-0.3 -4,-0.3 -2,-0.2 0.558 95.9 59.8 -81.2 -8.1 7.7 12.6 6.8 207 207 A S G < S+ 0 0 99 -3,-1.8 2,-0.3 -4,-0.3 -1,-0.2 -0.248 93.6 72.9-115.1 43.6 8.8 9.4 5.1 208 208 A I S < S- 0 0 38 -3,-0.6 2,-0.1 -9,-0.0 5,-0.0 -0.974 90.3 -93.9-155.7 140.2 11.3 8.0 7.5 209 209 A E >> - 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